Vitas-M small molecule compound

(9E)-2,4,7-trinitro-9-[4-(octyloxy)benzylidene]-9H-fluorene

Catalog ID
STK671669
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\c2cc(ccc2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H27N3O7 MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O7/c1-2-3-4-5-6-7-14-38-22-11-8-19(9-12-22)15-24-25-16-20(29(32)33)10-13-23(25)28-26(24)17-21(30(34)35)18-27(28)31(36)37/h8-13,15-18H,2-7,14H2,1H3/b24-15+
InChIKey
IVVCRKBYYVJDPL-BUVRLJJBSA-N
Synonyms

(9E)247TRINITRO9((4OCTOXYPHENYL)METHYLIDENE)FLUORENE
(9E)247trinitro9(4(octyloxy)benzylidene)9Hfluorene
CCCCCCCCOC1=CC=C(C=C1)C=C2C3=CC(=CC(=C3C4=C2C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
CCCCCCCCOc1ccc(cc1)C=C1c2cc(ccc2c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC28H27N3O7c123456714382211819(91222)1524251620(29(32)33)101323(25)2826(24)1721(30(34)35)1827(28)31(36)37h8131518H2714H21H3b2415+
MFCD00820552
ZINC000100046008
ZINC100046008

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Available files

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